Search MNXref
 Feedback

Isovitexin 2''-O-rhamnoside

MNXM18775 is deprecated and here replaced by MNXM732027
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732027 Image of MNXM732027
referencelipidmapsM:LMPK12110216
formulaC27H30O14
global charge0
mol weight578.523
InChIKeyBGPMMCPSTAYIEL-UTKQBPCESA-N
InChIInChI=1S/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1 Image of MNXM732027
SMILES (mnx)[CH3:1][C@H:9]1[C@H:19]([OH:32])[C@@H:22]([OH:35])[C@@H:24]([OH:37])[C@H:27]([O:41][C@@H:26]2[C@@H:23]([OH:36])[C@H:20]([OH:33])[C@@H:16]([CH2:8][OH:28])[O:40][C@H:25]2[C:18]2=[C:21]([OH:34])[C:17]3=[C:15]([CH:7]=[C:13]2[OH:31])[O:39][C:14]([C:10]2=[CH:3][CH:5]=[C:11]([OH:29])[CH:4]=[CH:2]2)=[CH:6][C:12]3=[O:30])[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK12110216
lipidmapsM:LMPK12110216
BGPMMCPSTAYIEL-UTKQBPCESA-N 		Isovitexin 2''-O-rhamnoside
hmdb:HMDB0304560
BGPMMCPSTAYIEL-UTKQBPCESA-N 		isoleucine betaine
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

CHEBI:142906
chebi:142906
BGPMMCPSTAYIEL-WDYJAFJFSA-N 		isovitexin 2''-O-rhamnoside